<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">1) please provide name and affiliation, when posting messages<div class=""><br class=""></div><div class="">2) generally speaking, it is difficult that people might provide just the input file(s) you need, much more likely instead to</div><div class="">get help about more specific issues</div><div class=""><br class=""></div><div class="">3) in the case someone has worked on the same system you are planning to deal with, the question should be more precise.</div><div class="">Even going to the old literature on metal clusters (literature that you can easily find and read), e.g. <a href="https://journals.aps.org/prl/pdf/10.1103/PhysRevLett.67.224" class="">https://journals.aps.org/prl/pdf/10.1103/PhysRevLett.67.224</a> ,</div><div class="">for a given number of atoms, metal clusters</div><div class="">might (and usually do) have isomers. So the input relative to which isomer of which Al_n cluster you are interested in?</div><div class=""><br class=""></div><div class="">Maybe the right route is to identify the system, look at the possible issues arising in a typical DFT calculation with that system</div><div class="">(there should be and extensive literature on the subject), try to perform simple calculations (e.g. with small number of atoms, I would</div><div class="">try Al4 of the above mentioned paper), and then move to more complex calculations. You need to build a supercell. Are you familiar with supercell</div><div class="">calculations? If not, try to use google to find Quantum-ESPRESSO related tutorials.</div><div class=""><br class=""></div><div class="">Giovanni</div><div class=""><br class=""></div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">On 10 Jul 2017, at 14:55, Shishir Timilsena <<a href="mailto:expressgucci@gmail.com" class="">expressgucci@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class="">can anyone send me the input file for aluminum cluster ???<br class=""></div>
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<div style="color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">-- <br class=""><br class="">Giovanni Cantele, PhD<br class="">CNR-SPIN<br class="">c/o Dipartimento di Fisica<br class="">Universita' di Napoli "Federico II"<br class="">Complesso Universitario M. S. Angelo - Ed. 6<br class="">Via Cintia, I-80126, Napoli, Italy<br class="">e-mail: <a href="mailto:giovanni.cantele@spin.cnr.it" class="">giovanni.cantele@spin.cnr.it</a><br class="">Phone: +39 081 676910<br class="">Skype contact: giocan74<br class=""><br class="">ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009" class="">http://www.researcherid.com/rid/A-1951-2009</a><br class="">Web page: <a href="http://people.fisica.unina.it/~cantele" class="">http://people.fisica.unina.it/~cantele</a><br class=""></div>
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